2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid

C13H25NO2 — CID 115250462

IUPAC2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CN(C)CCC1CCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-10(2)12(13(15)16)9-14(3)8-7-11-5-4-6-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyWXEJGPYVWGYZFW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds7

About 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid

2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 115250462) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
PubChem CID115250462
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CN(C)CCC1CCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-10(2)12(13(15)16)9-14(3)8-7-11-5-4-6-11/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyWXEJGPYVWGYZFW-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 115256306
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
CID 115123154
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
3-[2-cyclobutylethyl(methyl)amino]butanoic acid
CID 117042297
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254710
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639
3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid (CID 115250462) is 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid is CC(C)C(CN(C)CCC1CCC1)C(=O)O.
What is the InChIKey of 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is WXEJGPYVWGYZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)12(13(15)16)9-14(3)8-7-11-5-4-6-11/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid?
2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 115250462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).